CID 43138076

4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCl)C(=O)N
InChI
InChI=1S/C11H9ClN2OS/c12-5-9-6-16-11(14-9)8-3-1-7(2-4-8)10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKey
LUEUJGNAZUAVDV-UHFFFAOYSA-N
Compound name
4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.019676 153.1
[M+Na]+ 275.001618 163.1
[M-H]- 251.005124 159.0
[M+NH4]+ 270.046223 171.8
[M+K]+ 290.975558 157.4
[M+H-H2O]+ 235.009660 146.9
[M+HCOO]- 297.010601 168.1
[M+CH3COO]- 311.026251 191.5
[M+Na-2H]- 272.987066 153.5
[M]+ 252.01185142 156.0
[M]- 252.01294858 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.